7-(2-methyl-1,3-dioxolan-2-yl)heptanal

C11H20O3 — CID 102043190

IUPAC7-(2-methyl-1,3-dioxolan-2-yl)heptanal
SMILESCC1(CCCCCCC=O)OCCO1
InChIInChI=1S/C11H20O3/c1-11(13-9-10-14-11)7-5-3-2-4-6-8-12/h8H,2-7,9-10H2,1H3
InChIKeyVAAVAGUVCTXJIQ-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.29
Rot. Bonds7

About 7-(2-methyl-1,3-dioxolan-2-yl)heptanal

7-(2-methyl-1,3-dioxolan-2-yl)heptanal (PubChem CID 102043190) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 7-(2-methyl-1,3-dioxolan-2-yl)heptanal.

Molecular Properties

Compound Name7-(2-methyl-1,3-dioxolan-2-yl)heptanal
PubChem CID102043190
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name7-(2-methyl-1,3-dioxolan-2-yl)heptanal
SMILESCC1(CCCCCCC=O)OCCO1
InChIInChI=1S/C11H20O3/c1-11(13-9-10-14-11)7-5-3-2-4-6-8-12/h8H,2-7,9-10H2,1H3
InChIKeyVAAVAGUVCTXJIQ-UHFFFAOYSA-N
XLogP2.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methyl-1,3-dioxolan-2-yl)heptanal?
The IUPAC name of 7-(2-methyl-1,3-dioxolan-2-yl)heptanal (CID 102043190) is 7-(2-methyl-1,3-dioxolan-2-yl)heptanal.
What is the SMILES notation for 7-(2-methyl-1,3-dioxolan-2-yl)heptanal?
The canonical SMILES for 7-(2-methyl-1,3-dioxolan-2-yl)heptanal is CC1(CCCCCCC=O)OCCO1.
What is the InChIKey of 7-(2-methyl-1,3-dioxolan-2-yl)heptanal?
The InChIKey is VAAVAGUVCTXJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-11(13-9-10-14-11)7-5-3-2-4-6-8-12/h8H,2-7,9-10H2,1H3.
What are the key properties of 7-(2-methyl-1,3-dioxolan-2-yl)heptanal?
7-(2-methyl-1,3-dioxolan-2-yl)heptanal has a molecular weight of 200.28 g/mol, XLogP of 2.29, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methyl-1,3-dioxolan-2-yl)heptanal is sourced from PubChem (CID 102043190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).